Mol:LBF18000HO18
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.5250 0.2914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.5250 0.2914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.1080 -0.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.1080 -0.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.7350 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7350 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3221 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3221 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7405 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7405 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9420 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9420 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3590 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3590 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7759 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7759 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6100 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6100 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0270 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0270 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5560 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5560 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1666 0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1666 0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9149 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9149 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4983 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4983 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0817 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0817 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6650 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6650 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2713 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2713 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7388 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7388 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3221 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3221 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0929 -1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0929 -1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5250 1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5250 1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 1 4 0 0 0 | + | 2 21 1 4 0 0 0 |
| − | 1 22 1 4 0 0 0 | + | 1 22 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18000HO18 | + | ID LBF18000HO18 |
| − | FORMULA C18H36O4 | + | FORMULA C18H36O4 |
| − | EXACTMASS 316.26135963999997 | + | EXACTMASS 316.26135963999997 |
| − | AVERAGEMASS 316.47604 | + | AVERAGEMASS 316.47604 |
| − | SMILES CCCCCCCCCCCCCCCC(O)C(O)C(O)=O | + | SMILES CCCCCCCCCCCCCCCC(O)C(O)C(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
3.5250 0.2914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.1080 -0.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.7350 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3221 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7405 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9420 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3590 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7759 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6100 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0270 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5560 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1666 0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4983 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0817 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6650 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2713 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7388 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3221 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0929 -1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5250 1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 2 0 0 0 0
1 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 4 0 0 0
1 22 1 4 0 0 0
S SKP 5
ID LBF18000HO18
FORMULA C18H36O4
EXACTMASS 316.26135963999997
AVERAGEMASS 316.47604
SMILES CCCCCCCCCCCCCCCC(O)C(O)C(O)=O
M END
